3-(3,5-dimethyl-4-octadecanoyl-1-pentyl-pyrrol-2-yl)propanoic acid

Systemtic Name: 3-(3,5-dimethyl-4-octadecanoyl-1-pentyl-pyrrol-2-yl)propanoic acid Openeye Name: 3-(3,5-dimethyl-4-octadecanoyl-1-pentyl-pyrrol-2-yl)propanoic acid CAS Name: 3-[3,5-dimethyl-4-(1-oxooctadecyl)-1-pentyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-(3,5-dimethyl-4-octadecanoyl-1-pentylpyrrol-2-yl)propanoic acid Traditional Name: 3-(1-amyl-3,5-dimethyl-4-stearoyl-pyrrol-2-yl)propionic acid Formula: C32H57NO3 MolecularWeight: 503.79988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CCCCC)C

InChI

InChI=1S/C32H57NO3/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30(34)32-27(3)29(24-25-31(35)36)33(28(32)4)26-22-8-6-2/h5-26H2,1-4H3,(H,35,36)